| SpectraBase Spectrum ID |
FXdjmYsLH9S |
| Name |
Phenylacetate |
| CAS Registry Number |
5421-17-0 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
220.146329882 u |
| Formula |
C14H20O2 |
| InChI |
InChI=1S/C14H20O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3 |
| InChIKey |
MTAHGWGAEGVCLS-UHFFFAOYSA-N |
| Molecular Weight |
220.312 g/mol |
| Number of Peaks |
50 |
| RI1 |
1631 |
| RI2 |
1309 |
| RI3 |
1546 |
| RI4 |
1509 |
| SMILES |
c1c(cccc1)CC(OCCCCCC)=O |
| SPLASH |
splash10-0006-9300000000-6b72345387d1d3134796 |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
Benzeneacetic acid, hexyl ester |
| Wiley ID |
LM_FFNSC3_456 |
